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Yorodumi- PDB-1upd: Oxidized STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURIC... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1upd | ||||||
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Title | Oxidized STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | ||||||
Components | CYTOCHROME C3 | ||||||
Keywords | ELECTRON TRANSPORT / TETRAHEME CYTOCHROME C | ||||||
Function / homology | Function and homology information electron transfer activity / periplasmic space / heme binding / metal ion binding Similarity search - Function | ||||||
Biological species | DESULFOVIBRIO DESULFURICANS (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / OTHER / Resolution: 1.4 Å | ||||||
Authors | Bento, I. / Matias, P.M. / Baptista, A.M. / Da Costa, P.N. / Van Dongen, W.M.A.M. / Saraiva, L.M. / Schneider, T.R. / Soares, C.M. / Carrondo, M.A. | ||||||
Citation | Journal: Proteins / Year: 2004 Title: Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High- ...Title: Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6 Authors: Bento, I. / Matias, P.M. / Baptista, A.M. / Da Costa, P.N. / Van Dongen, W.M.A.M. / Saraiva, L.M. / Schneider, T.R. / Soares, C.M. / Carrondo, M.A. #1: Journal: J.Biol.Chem. / Year: 2001 Title: Conformational Component in the Coupled Transfer of Multiple Electrons and Protons in a Monomeric Tetraheme Cytochrome Authors: Louro, R.O. / Bento, I. / Matias, P.M. / Catarino, T. / Baptista, A.M. / Soares, C.M. / Carrondo, M.A. / Turner, D.L. / Xavier, A.V. #2: Journal: Inorg.Chim.Acta. / Year: 1998 Title: Refinement of the Three-Dimensional Structures of Cytochrome C3 from Desulfovibrio Vulgaris Hildenborough at 1.67 A Resolution and from Desulfovibrio Desulfuricans Atcc 27774 at 1.6 A Resolution Authors: Simoes, P. / Matias, P.M. / Morais, J. / Wilson, K. / Dauter, Z. / Carrondo, M.A. #3: Journal: Biochemistry / Year: 1995 Title: Structure of the Tetraheme Cytochrome from Desulfovibrio Desulfuricans Atcc 27774: X-Ray Diffraction and Electron Paramagnetic Resonance Studies Authors: Morais, J. / Palma, P.N. / Frazao, C. / Caldeira, J. / Legall, J. / Moura, I. / Moura, J.J. / Carrondo, M.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1upd.cif.gz | 67.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1upd.ent.gz | 55.2 KB | Display | PDB format |
PDBx/mmJSON format | 1upd.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/up/1upd ftp://data.pdbj.org/pub/pdb/validation_reports/up/1upd | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 11618.471 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) DESULFOVIBRIO DESULFURICANS (bacteria) / References: UniProt: Q9L915 | ||
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#2: Chemical | ChemComp-HEC / #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.87 Å3/Da / Density % sol: 34.2 % |
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Crystal grow | pH: 7.6 / Details: pH 7.60 |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-3 / Wavelength: 0.931 |
Detector | Type: MARRESEARCH / Detector: CCD / Details: TOROIDAL MIRROR |
Radiation | Monochromator: DIMOND (III) CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.931 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→30 Å / Num. obs: 44219 / % possible obs: 99.2 % / Observed criterion σ(I): 0 / Redundancy: 4.32 % / Rmerge(I) obs: 0.055 |
Reflection shell | Resolution: 1.4→1.43 Å / Rmerge(I) obs: 0.279 / % possible all: 98.5 |
-Processing
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Refinement | Method to determine structure: OTHER / Resolution: 1.4→30 Å / Num. parameters: 10377 / Num. restraintsaints: 13386 / Cross valid method: FREE R-VALUE / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER
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Solvent computation | Solvent model: MOEWS & KRETSINGER | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 10 / Occupancy sum hydrogen: 0 / Occupancy sum non hydrogen: 1104.05 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→30 Å
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Refine LS restraints |
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